BDBM50137731 (1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyrazine-2-carbonyl)-amino]-butyrylamino}-butyryl)-octahydro-cyclopenta[c]pyrrole-1-carboxylic acid (1-sec-butylaminooxalyl-butyl)-amide::CHEMBL314544

SMILES: CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC(C)CC

InChI Key: InChIKey=LHYXNPHHRXIDQE-VGTGIRBZSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50137731   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Human rhinovirus A protease (Human rhinovirus B)	BDBM50137731 ((1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyr...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC(C)CC Show InChI InChI=1S/C33H51N7O6/c1-8-11-23(28(41)32(45)36-20(7)9-2)37-31(44)27-22-13-10-12-21(22)17-40(27)33(46)26(19(5)6)39-30(43)25(18(3)4)38-29(42)24-16-34-14-15-35-24/h14-16,18-23,25-27H,8-13,17H2,1-7H3,(H,36,45)(H,37,44)(H,38,42)(H,39,43)/t20?,21-,22-,23?,25-,26-,27-/m0/s1	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Binding affinity of the compound towards Protease using PNA assay in rats				Bioorg Med Chem Lett 14: 257-61 (2003) BindingDB Entry DOI: 10.7270/Q20P0ZDG
					More data for this Ligand-Target Pair
Human rhinovirus A protease (Human rhinovirus B)	BDBM50137731 ((1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyr...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC(C)CC Show InChI InChI=1S/C33H51N7O6/c1-8-11-23(28(41)32(45)36-20(7)9-2)37-31(44)27-22-13-10-12-21(22)17-40(27)33(46)26(19(5)6)39-30(43)25(18(3)4)38-29(42)24-16-34-14-15-35-24/h14-16,18-23,25-27H,8-13,17H2,1-7H3,(H,36,45)(H,37,44)(H,38,42)(H,39,43)/t20?,21-,22-,23?,25-,26-,27-/m0/s1	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Binding affinity of the compound towards Protease using PNA assay in rats				Bioorg Med Chem Lett 14: 257-61 (2003) BindingDB Entry DOI: 10.7270/Q20P0ZDG
					More data for this Ligand-Target Pair